12-[16-(phenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecanoic acid

Systemtic Name: 12-[16-(phenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecanoic acid Openeye Name: 12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecanoic acid CAS Name: 12-[16-(phenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecanoic acid IUPAC Name: 12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecanoic acid Traditional Name: 12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)lauric acid Formula: C31H54N2O6 MolecularWeight: 550.77026

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCN(CCOCCOCCN1CCCCCCCCCCCC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1COCCOCCN(CCOCCOCCN1CCCCCCCCCCCC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C31H54N2O6/c34-31(35)15-11-6-4-2-1-3-5-7-12-16-32-17-21-36-25-27-38-23-19-33(29-30-13-9-8-10-14-30)20-24-39-28-26-37-22-18-32/h8-10,13-14H,1-7,11-12,15-29H2,(H,34,35)